Changes in src/vector.cpp [7b36fe:a67d19]

File:

• src/vector.cpp (modified) (28 diffs)

src/vector.cpp

@@ -15 +15 @@
 #include "vector.hpp"
 #include "verbose.hpp"
+#include "World.hpp"
 
 #include <gsl/gsl_linalg.h>
@@ -26 +27 @@
  */
 Vector::Vector() { x[0] = x[1] = x[2] = 0.; };
+
+/** Constructor of class vector.
+ */
+Vector::Vector(const Vector * const a)
+{
+  x[0] = a->x[0];
+  x[1] = a->x[1];
+  x[2] = a->x[2];
+};
+
+/** Constructor of class vector.
+ */
+Vector::Vector(const Vector &a)
+{
+  x[0] = a.x[0];
+  x[1] = a.x[1];
+  x[2] = a.x[2];
+};
 
 /** Constructor of class vector.
@@ -234 +253 @@
   Direction.SubtractVector(Origin);
   Direction.Normalize();
-  Log() << Verbose(1) << "INFO: Direction is " << Direction << "." << endl;
+  DoLog(1) && (Log() << Verbose(1) << "INFO: Direction is " << Direction << "." << endl);
   //Log() << Verbose(1) << "INFO: PlaneNormal is " << *PlaneNormal << " and PlaneOffset is " << *PlaneOffset << "." << endl;
   factor = Direction.ScalarProduct(PlaneNormal);
   if (fabs(factor) < MYEPSILON) { // Uniqueness: line parallel to plane?
-    Log() << Verbose(1) << "BAD: Line is parallel to plane, no intersection." << endl;
+    DoLog(1) && (Log() << Verbose(1) << "BAD: Line is parallel to plane, no intersection." << endl);
     return false;
   }
@@ -245 +264 @@
   factor = helper.ScalarProduct(PlaneNormal)/factor;
   if (fabs(factor) < MYEPSILON) { // Origin is in-plane
-    Log() << Verbose(1) << "GOOD: Origin of line is in-plane." << endl;
+    DoLog(1) && (Log() << Verbose(1) << "GOOD: Origin of line is in-plane." << endl);
     CopyVector(Origin);
     return true;
@@ -252 +271 @@
   Direction.Scale(factor);
   CopyVector(Origin);
-  Log() << Verbose(1) << "INFO: Scaled direction is " << Direction << "." << endl;
+  DoLog(1) && (Log() << Verbose(1) << "INFO: Scaled direction is " << Direction << "." << endl);
   AddVector(&Direction);
 
@@ -259 +278 @@
   helper.SubtractVector(PlaneOffset);
   if (helper.ScalarProduct(PlaneNormal) < MYEPSILON) {
-    Log() << Verbose(1) << "GOOD: Intersection is " << *this << "." << endl;
+    DoLog(1) && (Log() << Verbose(1) << "GOOD: Intersection is " << *this << "." << endl);
     return true;
   } else {
-    eLog() << Verbose(2) << "Intersection point " << *this << " is not on plane." << endl;
+    DoeLog(2) && (eLog()<< Verbose(2) << "Intersection point " << *this << " is not on plane." << endl);
     return false;
   }
 };
 
-/** Calculates the minimum distance of this vector to the plane.
+/** Calculates the minimum distance vector of this vector to the plane.
  * \param *out output stream for debugging
  * \param *PlaneNormal normal of plane
  * \param *PlaneOffset offset of plane
- * \return distance to plane
- */
-double Vector::DistanceToPlane(const Vector * const PlaneNormal, const Vector * const PlaneOffset) const
+ * \return distance vector onto to plane
+ */
+Vector Vector::GetDistanceVectorToPlane(const Vector * const PlaneNormal, const Vector * const PlaneOffset) const
 {
   Vector temp;
@@ -291 +310 @@
     sign = 0.;
 
-  return (temp.Norm()*sign);
+  temp.Normalize();
+  temp.Scale(sign);
+  return temp;
+};
+
+/** Calculates the minimum distance of this vector to the plane.
+ * \sa Vector::GetDistanceVectorToPlane()
+ * \param *out output stream for debugging
+ * \param *PlaneNormal normal of plane
+ * \param *PlaneOffset offset of plane
+ * \return distance to plane
+ */
+double Vector::DistanceToPlane(const Vector * const PlaneNormal, const Vector * const PlaneOffset) const
+{
+  return GetDistanceVectorToPlane(PlaneNormal,PlaneOffset).Norm();
 };
 
@@ -319 +352 @@
   
   //Log() << Verbose(1) << "Coefficent matrix is:" << endl;
+  //ostream &output = Log() << Verbose(1);
   //for (int i=0;i<4;i++) {
   //  for (int j=0;j<4;j++)
-  //    cout << "\t" << M->Get(i,j);
-  //  cout << endl;
+  //    output << "\t" << M->Get(i,j);
+  //  output << endl;
   //}
   if (fabs(M->Determinant()) > MYEPSILON) {
-    Log() << Verbose(1) << "Determinant of coefficient matrix is NOT zero." << endl;
+    DoLog(1) && (Log() << Verbose(1) << "Determinant of coefficient matrix is NOT zero." << endl);
     return false;
   }
-  Log() << Verbose(1) << "INFO: Line1a = " << *Line1a << ", Line1b = " << *Line1b << ", Line2a = " << *Line2a << ", Line2b = " << *Line2b << "." << endl;
+  DoLog(1) && (Log() << Verbose(1) << "INFO: Line1a = " << *Line1a << ", Line1b = " << *Line1b << ", Line2a = " << *Line2a << ", Line2b = " << *Line2b << "." << endl);
 
 
@@ -344 +378 @@
   d.CopyVector(Line2b);
   d.SubtractVector(Line1b);
-  Log() << Verbose(1) << "INFO: a = " << a << ", b = " << b << ", c = " << c << "." << endl;
+  DoLog(1) && (Log() << Verbose(1) << "INFO: a = " << a << ", b = " << b << ", c = " << c << "." << endl);
   if ((a.NormSquared() < MYEPSILON) || (b.NormSquared() < MYEPSILON)) {
    Zero();
-   Log() << Verbose(1) << "At least one of the lines is ill-defined, i.e. offset equals second vector." << endl;
+   DoLog(1) && (Log() << Verbose(1) << "At least one of the lines is ill-defined, i.e. offset equals second vector." << endl);
    return false;
   }
@@ -360 +394 @@
     if ((factor >= -MYEPSILON) && (factor - 1. < MYEPSILON)) {
       CopyVector(Line2a);
-      Log() << Verbose(1) << "Lines conincide." << endl;
+      DoLog(1) && (Log() << Verbose(1) << "Lines conincide." << endl);
       return true;
     } else {
@@ -368 +402 @@
       if ((factor >= -MYEPSILON) && (factor - 1. < MYEPSILON)) {
         CopyVector(Line2b);
-        Log() << Verbose(1) << "Lines conincide." << endl;
+        DoLog(1) && (Log() << Verbose(1) << "Lines conincide." << endl);
         return true;
       }
     }
-    Log() << Verbose(1) << "Lines are parallel." << endl;
+    DoLog(1) && (Log() << Verbose(1) << "Lines are parallel." << endl);
     Zero();
     return false;
@@ -384 +418 @@
   temp2.CopyVector(&a);
   temp2.VectorProduct(&b);
-  Log() << Verbose(1) << "INFO: temp1 = " << temp1 << ", temp2 = " << temp2 << "." << endl;
+  DoLog(1) && (Log() << Verbose(1) << "INFO: temp1 = " << temp1 << ", temp2 = " << temp2 << "." << endl);
   if (fabs(temp2.NormSquared()) > MYEPSILON)
     s = temp1.ScalarProduct(&temp2)/temp2.NormSquared();
   else
     s = 0.;
-  Log() << Verbose(1) << "Factor s is " << temp1.ScalarProduct(&temp2) << "/" << temp2.NormSquared() << " = " << s << "." << endl;
+  DoLog(1) && (Log() << Verbose(1) << "Factor s is " << temp1.ScalarProduct(&temp2) << "/" << temp2.NormSquared() << " = " << s << "." << endl);
 
   // construct intersection
@@ -395 +429 @@
   Scale(s);
   AddVector(Line1a);
-  Log() << Verbose(1) << "Intersection is at " << *this << "." << endl;
+  DoLog(1) && (Log() << Verbose(1) << "Intersection is at " << *this << "." << endl);
 
   return true;
@@ -668 +702 @@
 void Vector::Output() const
 {
-  Log() << Verbose(0) << "(";
+  DoLog(0) && (Log() << Verbose(0) << "(");
   for (int i=0;i<NDIM;i++) {
-    Log() << Verbose(0) << x[i];
+    DoLog(0) && (Log() << Verbose(0) << x[i]);
     if (i != 2)
-      Log() << Verbose(0) << ",";
-  }
-  Log() << Verbose(0) << ")";
+      DoLog(0) && (Log() << Verbose(0) << ",");
+  }
+  DoLog(0) && (Log() << Verbose(0) << ")");
 };
 
@@ -783 +817 @@
       x[i] = C.x[i];
   } else {
-    eLog() << Verbose(1) << "inverse of matrix does not exists: det A = " << detA << "." << endl;
+    DoeLog(1) && (eLog()<< Verbose(1) << "inverse of matrix does not exists: det A = " << detA << "." << endl);
   }
 };
@@ -809 +843 @@
   projection = ScalarProduct(n)/n->ScalarProduct(n);    // remove constancy from n (keep as logical one)
   // withdraw projected vector twice from original one
-  Log() << Verbose(1) << "Vector: ";
+  DoLog(1) && (Log() << Verbose(1) << "Vector: ");
   Output();
-  Log() << Verbose(0) << "\t";
+  DoLog(0) && (Log() << Verbose(0) << "\t");
   for (int i=NDIM;i--;)
     x[i] -= 2.*projection*n->x[i];
-  Log() << Verbose(0) << "Projected vector: ";
+  DoLog(0) && (Log() << Verbose(0) << "Projected vector: ");
   Output();
-  Log() << Verbose(0) << endl;
+  DoLog(0) && (Log() << Verbose(0) << endl);
 };
 
@@ -835 +869 @@
   x2.SubtractVector(y2);
   if ((fabs(x1.Norm()) < MYEPSILON) || (fabs(x2.Norm()) < MYEPSILON) || (fabs(x1.Angle(&x2)) < MYEPSILON)) {
-    eLog() << Verbose(2) << "Given vectors are linear dependent." << endl;
+    DoeLog(2) && (eLog()<< Verbose(2) << "Given vectors are linear dependent." << endl);
     return false;
   }
@@ -869 +903 @@
   Zero();
   if ((fabs(x1.Norm()) < MYEPSILON) || (fabs(x2.Norm()) < MYEPSILON) || (fabs(x1.Angle(&x2)) < MYEPSILON)) {
-    eLog() << Verbose(2) << "Given vectors are linear dependent." << endl;
+    DoeLog(2) && (eLog()<< Verbose(2) << "Given vectors are linear dependent." << endl);
     return false;
   }
@@ -920 +954 @@
   double norm;
 
-  Log() << Verbose(4);
+  DoLog(4) && (Log() << Verbose(4));
   GivenVector->Output();
-  Log() << Verbose(0) << endl;
+  DoLog(0) && (Log() << Verbose(0) << endl);
   for (j=NDIM;j--;)
     Components[j] = -1;
@@ -929 +963 @@
     if (fabs(GivenVector->x[j]) > MYEPSILON)
       Components[Last++] = j;
-  Log() << Verbose(4) << Last << " Components != 0: (" << Components[0] << "," << Components[1] << "," << Components[2] << ")" << endl;
+  DoLog(4) && (Log() << Verbose(4) << Last << " Components != 0: (" << Components[0] << "," << Components[1] << "," << Components[2] << ")" << endl);
 
   switch(Last) {
@@ -979 +1013 @@
 
   for (j=0;j<num;j++) {
-    Log() << Verbose(1) << j << "th atom's vector: ";
+    DoLog(1) && (Log() << Verbose(1) << j << "th atom's vector: ");
     (vectors[j])->Output();
-    Log() << Verbose(0) << endl;
+    DoLog(0) && (Log() << Verbose(0) << endl);
   }
 
@@ -1101 +1135 @@
     j += i+1;
     do {
-      Log() << Verbose(0) << coords[i] << "[0.." << cell_size[j] << "]: ";
+      DoLog(0) && (Log() << Verbose(0) << coords[i] << "[0.." << cell_size[j] << "]: ");
       cin >> x[i];
     } while (((x[i] < 0) || (x[i] >= cell_size[j])) && (check));
@@ -1132 +1166 @@
   B2 = cos(beta) * x2->Norm() * c;
   C = c * c;
-  Log() << Verbose(2) << "A " << A << "\tB " << B1 << "\tC " << C << endl;
+  DoLog(2) && (Log() << Verbose(2) << "A " << A << "\tB " << B1 << "\tC " << C << endl);
   int flag = 0;
   if (fabs(x1->x[0]) < MYEPSILON) { // check for zero components for the later flipping and back-flipping
@@ -1171 +1205 @@
   D2 = -y->x[0]/x1->x[0]*x1->x[2]+y->x[2];
   D3 = y->x[0]/x1->x[0]*A-B1;
-  Log() << Verbose(2) << "D1 " << D1 << "\tD2 " << D2 << "\tD3 " << D3 << "\n";
+  DoLog(2) && (Log() << Verbose(2) << "D1 " << D1 << "\tD2 " << D2 << "\tD3 " << D3 << "\n");
   if (fabs(D1) < MYEPSILON) {
-    Log() << Verbose(2) << "D1 == 0!\n";
+    DoLog(2) && (Log() << Verbose(2) << "D1 == 0!\n");
     if (fabs(D2) > MYEPSILON) {
-      Log() << Verbose(3) << "D2 != 0!\n";
+      DoLog(3) && (Log() << Verbose(3) << "D2 != 0!\n");
       x[2] = -D3/D2;
       E1 = A/x1->x[0] + x1->x[2]/x1->x[0]*D3/D2;
       E2 = -x1->x[1]/x1->x[0];
-      Log() << Verbose(3) << "E1 " << E1 << "\tE2 " << E2 << "\n";
+      DoLog(3) && (Log() << Verbose(3) << "E1 " << E1 << "\tE2 " << E2 << "\n");
       F1 = E1*E1 + 1.;
       F2 = -E1*E2;
       F3 = E1*E1 + D3*D3/(D2*D2) - C;
-      Log() << Verbose(3) << "F1 " << F1 << "\tF2 " << F2 << "\tF3 " << F3 << "\n";
+      DoLog(3) && (Log() << Verbose(3) << "F1 " << F1 << "\tF2 " << F2 << "\tF3 " << F3 << "\n");
       if (fabs(F1) < MYEPSILON) {
-        Log() << Verbose(4) << "F1 == 0!\n";
-        Log() << Verbose(4) << "Gleichungssystem linear\n";
+        DoLog(4) && (Log() << Verbose(4) << "F1 == 0!\n");
+        DoLog(4) && (Log() << Verbose(4) << "Gleichungssystem linear\n");
         x[1] = F3/(2.*F2);
       } else {
         p = F2/F1;
         q = p*p - F3/F1;
-        Log() << Verbose(4) << "p " << p << "\tq " << q << endl;
+        DoLog(4) && (Log() << Verbose(4) << "p " << p << "\tq " << q << endl);
         if (q < 0) {
-          Log() << Verbose(4) << "q < 0" << endl;
+          DoLog(4) && (Log() << Verbose(4) << "q < 0" << endl);
           return false;
         }
@@ -1200 +1234 @@
       x[0] =  A/x1->x[0] - x1->x[1]/x1->x[0]*x[1] + x1->x[2]/x1->x[0]*x[2];
     } else {
-      Log() << Verbose(2) << "Gleichungssystem unterbestimmt\n";
+      DoLog(2) && (Log() << Verbose(2) << "Gleichungssystem unterbestimmt\n");
       return false;
     }
@@ -1206 +1240 @@
     E1 = A/x1->x[0]+x1->x[1]/x1->x[0]*D3/D1;
     E2 = x1->x[1]/x1->x[0]*D2/D1 - x1->x[2];
-    Log() << Verbose(2) << "E1 " << E1 << "\tE2 " << E2 << "\n";
+    DoLog(2) && (Log() << Verbose(2) << "E1 " << E1 << "\tE2 " << E2 << "\n");
     F1 = E2*E2 + D2*D2/(D1*D1) + 1.;
     F2 = -(E1*E2 + D2*D3/(D1*D1));
     F3 = E1*E1 + D3*D3/(D1*D1) - C;
-    Log() << Verbose(2) << "F1 " << F1 << "\tF2 " << F2 << "\tF3 " << F3 << "\n";
+    DoLog(2) && (Log() << Verbose(2) << "F1 " << F1 << "\tF2 " << F2 << "\tF3 " << F3 << "\n");
     if (fabs(F1) < MYEPSILON) {
-      Log() << Verbose(3) << "F1 == 0!\n";
-      Log() << Verbose(3) << "Gleichungssystem linear\n";
+      DoLog(3) && (Log() << Verbose(3) << "F1 == 0!\n");
+      DoLog(3) && (Log() << Verbose(3) << "Gleichungssystem linear\n");
       x[2] = F3/(2.*F2);
     } else {
       p = F2/F1;
       q = p*p - F3/F1;
-      Log() << Verbose(3) << "p " << p << "\tq " << q << endl;
+      DoLog(3) && (Log() << Verbose(3) << "p " << p << "\tq " << q << endl);
       if (q < 0) {
-        Log() << Verbose(3) << "q < 0" << endl;
+        DoLog(3) && (Log() << Verbose(3) << "q < 0" << endl);
         return false;
       }
@@ -1258 +1292 @@
     for (j=2;j>=0;j--) {
       k = (i & pot(2,j)) << j;
-      Log() << Verbose(2) << "k " << k << "\tpot(2,j) " << pot(2,j) << endl;
+      DoLog(2) && (Log() << Verbose(2) << "k " << k << "\tpot(2,j) " << pot(2,j) << endl);
       sign[j] = (k == 0) ? 1. : -1.;
     }
-    Log() << Verbose(2) << i << ": sign matrix is " << sign[0] << "\t" << sign[1] << "\t" << sign[2] << "\n";
+    DoLog(2) && (Log() << Verbose(2) << i << ": sign matrix is " << sign[0] << "\t" << sign[1] << "\t" << sign[2] << "\n");
     // apply sign matrix
     for (j=NDIM;j--;)
@@ -1267 +1301 @@
     // calculate angle and check
     ang = x2->Angle (this);
-    Log() << Verbose(1) << i << "th angle " << ang << "\tbeta " << cos(beta) << " :\t";
+    DoLog(1) && (Log() << Verbose(1) << i << "th angle " << ang << "\tbeta " << cos(beta) << " :\t");
     if (fabs(ang - cos(beta)) < MYEPSILON) {
       break;